(4-ethoxy-3-methylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone

C18H22N4O2 — CID 86938426

IUPAC(4-ethoxy-3-methylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESCCOc1ccc(C(=O)N2CCN(c3cnccn3)CC2)cc1C
InChIInChI=1S/C18H22N4O2/c1-3-24-16-5-4-15(12-14(16)2)18(23)22-10-8-21(9-11-22)17-13-19-6-7-20-17/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyNVUXHDYSDMMUEE-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.15
Rot. Bonds4

About (4-ethoxy-3-methylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone

(4-ethoxy-3-methylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone (PubChem CID 86938426) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is (4-ethoxy-3-methylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-ethoxy-3-methylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
PubChem CID86938426
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name(4-ethoxy-3-methylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESCCOc1ccc(C(=O)N2CCN(c3cnccn3)CC2)cc1C
InChIInChI=1S/C18H22N4O2/c1-3-24-16-5-4-15(12-14(16)2)18(23)22-10-8-21(9-11-22)17-13-19-6-7-20-17/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyNVUXHDYSDMMUEE-UHFFFAOYSA-N
XLogP2.15
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethoxy-3-methylphenyl)-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methanone
CID 86938536
(3,5-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023194
(3-bromo-4-ethoxy-5-methoxyphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42022240
(4-ethoxy-3-methylphenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone
CID 110804678
[4-(4-ethoxy-3-methylbenzoyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 110802331
1-[4-(4-ethoxy-3-methylbenzoyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 110803973
[4-[(R)-methylsulfinyl]phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 33113092
[3-(5,6-dimethyl-2-pyridinyl)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 122559443
2-(2-methylphenyl)-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)isoindole-1,3-dione
CID 42022159
1-[4-(4-ethoxy-3-methylbenzoyl)-1,4-diazepan-1-yl]pentan-1-one
CID 110806705
6-[4-(3,4-diethoxybenzoyl)piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one
CID 53081763
1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 60715497

Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-3-methylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-ethoxy-3-methylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone (CID 86938426) is (4-ethoxy-3-methylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-ethoxy-3-methylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-ethoxy-3-methylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone is CCOc1ccc(C(=O)N2CCN(c3cnccn3)CC2)cc1C.
What is the InChIKey of (4-ethoxy-3-methylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The InChIKey is NVUXHDYSDMMUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-3-24-16-5-4-15(12-14(16)2)18(23)22-10-8-21(9-11-22)17-13-19-6-7-20-17/h4-7,12-13H,3,8-11H2,1-2H3.
What are the key properties of (4-ethoxy-3-methylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
(4-ethoxy-3-methylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone has a molecular weight of 326.40 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-3-methylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 86938426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).